1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide

C20H29N3O3 — CID 119533899

IUPAC1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCC1CCNC1)C1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C20H29N3O3/c24-19(15-26-18-6-2-1-3-7-18)23-12-4-5-17(14-23)20(25)22-11-9-16-8-10-21-13-16/h1-3,6-7,16-17,21H,4-5,8-15H2,(H,22,25)
InChIKeyRVLCRQQLBXVYLL-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.42
Rot. Bonds7

About 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide

1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide (PubChem CID 119533899) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
PubChem CID119533899
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCC1CCNC1)C1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C20H29N3O3/c24-19(15-26-18-6-2-1-3-7-18)23-12-4-5-17(14-23)20(25)22-11-9-16-8-10-21-13-16/h1-3,6-7,16-17,21H,4-5,8-15H2,(H,22,25)
InChIKeyRVLCRQQLBXVYLL-UHFFFAOYSA-N
XLogP1.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide
CID 119536703
1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119558659
1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119510299
1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119537419
N-[2-(4-aminophenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119547681
N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119626264
1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide
CID 119556343
1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403328
3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119347944
cis-(1R,3S)-3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677745
1-acetyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119555744
1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119543096

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide (CID 119533899) is 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide is O=C(NCCC1CCNC1)C1CCCN(C(=O)COc2ccccc2)C1.
What is the InChIKey of 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide?
The InChIKey is RVLCRQQLBXVYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19(15-26-18-6-2-1-3-7-18)23-12-4-5-17(14-23)20(25)22-11-9-16-8-10-21-13-16/h1-3,6-7,16-17,21H,4-5,8-15H2,(H,22,25).
What are the key properties of 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide?
1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 119533899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).